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3-(3,4-Dimethoxyphenyl)-11-(2-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID Fy9zMCWsCJA
InChI InChI=1S/C27H25N3O5/c1-34-24-12-11-16(15-25(24)35-2)17-13-21-26(23(31)14-17)27(18-7-3-6-10-22(18)30(32)33)29-20-9-5-4-8-19(20)28-21/h3-12,15,17,27-29H,13-14H2,1-2H3
InChIKey ADWOICVCYRZZCG-UHFFFAOYSA-N
Mol Weight 471.51 g/mol
Molecular Formula C27H25N3O5
Exact Mass 471.179421 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID dkCIrrIKvm
Name 1H-dibenzo[b,e][1,4]diazepin-1-one, 3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-11-(2-nitrophenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 471.179420912 u
Formula C27H25N3O5
InChI InChI=1S/C27H25N3O5/c1-34-24-12-11-16(15-25(24)35-2)17-13-21-26(23(31)14-17)27(18-7-3-6-10-22(18)30(32)33)29-20-9-5-4-8-19(20)28-21/h3-12,15,17,27-29H,13-14H2,1-2H3
InChIKey ADWOICVCYRZZCG-UHFFFAOYSA-N
Molecular Weight 471.513 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5972
Solvent DMSO-d6
Source Vendor ID: NMR/10211396; Lab Info: SAS; Lab Number: SAS-tst3262